Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5873285 | 0.83 | ALDH1A1 (0.52) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL14202796 | 0.83 | ALDH1A1 (0.63) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL7364286 | 0.81 | ALDH1A1 (0.50) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL10490218 | 0.79 | ALDH1A1 (0.70) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL9190721 | 0.79 | ALDH1A1 (0.48) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL28390011 | 0.79 | ALDH1A1 (0.48) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL3388559 | 0.79 | ALDH1A1 (0.48) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL8830960 | 0.78 | ALDH1A1 (0.47) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL8954554 | 0.78 | NPSR1 (0.47) | ALDH1A1NPC1NPSR1HTTRAB9A | |
| SCHEMBL109362 | 0.78 | ALDH1A1 (0.47) | ALDH1A1NPC1NPSR1HTTRAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040225016-A1 | administering bis[thio-hydrazide amide] Compounds for treating multi-drug resistant cancer | SYNTA PHARMACEUTICALS CORPORATION | 2004-11-11 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040225016-A1 | administering bis[thio-hydrazide amide] Compounds for treating multi-drug resistant cancer | CBR1, ABCC1, CBR3 | ALDH1A1 107/4885NPC1 1935/4885NPSR1 784/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.